CID 51060934

N-(2-((2-(5-bromo-2-(2-propynyloxy)benzylidene)hydrazino)carbonyl)phenyl)-4-chlorobenzenesulfonamide

Structural Information

Molecular Formula
C23H17BrClN3O4S
SMILES
C#CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H17BrClN3O4S/c1-2-13-32-22-12-7-17(24)14-16(22)15-26-27-23(29)20-5-3-4-6-21(20)28-33(30,31)19-10-8-18(25)9-11-19/h1,3-12,14-15,28H,13H2,(H,27,29)/b26-15+
InChIKey
OAXSTWOOIDADFJ-CVKSISIWSA-N
Compound name
N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.98114 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.98842 219.2
[M+Na]+ 567.97036 231.0
[M-H]- 543.97386 227.4
[M+NH4]+ 563.01496 227.4
[M+K]+ 583.94430 214.8
[M+H-H2O]+ 527.97840 209.7
[M+HCOO]- 589.97934 229.7
[M+CH3COO]- 603.99499 245.2
[M+Na-2H]- 565.95581 220.6
[M]+ 544.98059 234.8
[M]- 544.98169 234.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.